diff galaxy_stubs/ModelCreator.xml @ 2:605370bc1def draft default tip

Uploaded

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/galaxy_stubs/ModelCreator.xml	Tue Jul 12 12:33:33 2016 -0400
@@ -0,0 +1,73 @@
+<?xml version='1.0' encoding='UTF-8'?>
+<!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
+<!--Proposed Tool Section: [QuEasy (QSAR)]-->
+<tool id="ModelCreator" name="ModelCreator" version="1.1">
+  <description>create a QSAR model       </description>
+  <macros>
+    <token name="@EXECUTABLE@">ModelCreator</token>
+    <import>macros.xml</import>
+  </macros>
+  <expand macro="stdio"/>
+  <expand macro="requirements"/>
+  <command>ModelCreator
+
+#if $param_i:
+  -i $param_i
+#end if
+#if $param_o:
+  -o $param_o
+#end if
+#if $param_type:
+  -type
+  #if " " in str($param_type):
+    "$param_type"
+  #else
+    $param_type
+  #end if
+#end if
+#if $param_kernel:
+  -kernel
+  #if " " in str($param_kernel):
+    "$param_kernel"
+  #else
+    $param_kernel
+  #end if
+#end if
+</command>
+  <inputs>
+    <param name="param_i" type="data" format="dat" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="input dat-file" help="(-i) "/>
+    <param name="param_type" type="select" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="model type" help="(-type) ">
+      <option value="MLR">MLR</option>
+      <option value=" RR"> RR</option>
+      <option value=" PCR"> PCR</option>
+      <option value=" PLS"> PLS</option>
+      <option value=" OPLS"> OPLS</option>
+      <option value=" ALL"> ALL</option>
+      <option value=" KNN"> KNN</option>
+      <option value=" KPLS"> KPLS</option>
+      <option value=" KPCR"> KPCR</option>
+      <option value=" GP"> GP</option>
+      <option value=" SVR"> SVR</option>
+      <option value=" LDA"> LDA</option>
+      <option value=" snB"> snB</option>
+      <option value=" nB"> nB</option>
+    </param>
+    <param name="param_kernel" type="select" optional="True" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="kernel type (in case of kernel-model)" help="(-kernel) ">
+      <option value="none">none</option>
+      <option value=" polynomial"> polynomial</option>
+      <option value=" rbf"> rbf</option>
+      <option value=" sigmoidal"> sigmoidal</option>
+    </param>
+  </inputs>
+  <expand macro="advanced_options"/>
+  <outputs>
+    <data name="param_o" format="mod"/>
+  </outputs>
+  <help>ModelCreator creates a QSAR model using an input data set as generated by InputReader.
+
+The type of QSAR model to be used can be specified by '-type', the type of kernel-function (if any) can be chosen by '-kernel'. Optimization of model- and kernel-parmeters will be done automatically using cross-validation.
+
+Output of this tool is a model-file that can be used by other QuEasy tools (e.g. FeatureSelector).
+
+</help>
+</tool>